Geometry & MOs

Info

ID:	70267
PubChem CID:	48409846
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	414.182254
ΔH_f, kcal/mol:	33.7
Dipole, Da:	1.46
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

DOS

IR

Vibrations