Geometry & MOs

Info

ID:	352156
PubChem CID:	127283224
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	2.73
IP(EA), eV:	-9.17(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations