Geometry & MOs

Info

ID:	309874
PubChem CID:	126563576
Reduced:	ClN4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	94.76
Dipole, Da:	3.99
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-benzyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepin-1-yl)methanol

Drug info:

PubChemData

Smile

C[C@@H]1CN(C2=CC=CC=C2C3=C(N=NN13)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations