Geometry & MOs

Info

ID:	370410
PubChem CID:	127338497
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	48.12
Dipole, Da:	3.96
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCN(C4=CC=CC=C43)C)C

DOS

IR

Vibrations