Geometry & MOs

Info

ID:	353116
PubChem CID:	127284296
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	375.161915
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	3.87
IP(EA), eV:	-8.3(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(N2)C3CCCO3)N4CCCCC4

DOS

IR

Vibrations