Geometry & MOs

Info

ID:	370049
PubChem CID:	127337277
Reduced:	ClON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	384.238608
ΔH_f, kcal/mol:	-0.1
Dipole, Da:	7.59
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C3CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations