Geometry & MOs

Info

ID:	297357
PubChem CID:	117615976
Reduced:	O3N8C30H42 (1)
Stoich.:	A3B8C30D42 (1)
Weight, g/mol:	370.198046
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	2.62
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-N'-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)N(CC1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C

DOS

IR

Vibrations