Geometry & MOs

Info

ID:	353512
PubChem CID:	127285089
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	5.03
IP(EA), eV:	-8.37(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC=C2CC(=O)NCC3(CCOCC3)N4CCCC4

DOS

IR

Vibrations