Geometry & MOs

Info

ID:	347053
PubChem CID:	127271557
Reduced:	O2N7C17H29 (1)
Stoich.:	A2B7C17D29 (1)
Weight, g/mol:	356.123087
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	6.1
IP(EA), eV:	-9.14(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations