Geometry & MOs

Info

ID:	154838
PubChem CID:	56314378
Reduced:	OF3N4C18H29 (1)
Stoich.:	AB3C4D18E29 (1)
Weight, g/mol:	401.149716
ΔH_f, kcal/mol:	-202.3
Dipole, Da:	4.54
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F)C

DOS

IR

Vibrations