Geometry & MOs

Info

ID:	365477
PubChem CID:	127317896
Reduced:	OCl2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-33.65
Dipole, Da:	4.17
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCCNC3=C(C=C(C=N3)Cl)Cl

DOS

IR

Vibrations