Geometry & MOs

Info

ID:	344021
PubChem CID:	127267197
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	3.63
IP(EA), eV:	-8.96(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(3-phenyltriazol-4-yl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NN(C)CCOC

DOS

IR

Vibrations