Geometry & MOs

Info

ID:	204064
PubChem CID:	79907638
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	0.98
IP(EA), eV:	-8.69(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1OC2CCOC3(C2)CCCC3

DOS

IR

Vibrations