Geometry & MOs

Info

ID:	37390
PubChem CID:	8020491
Reduced:	N4O5C18H28 (1)
Stoich.:	A4B5C18D28 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-217.79
Dipole, Da:	3.95
IP(EA), eV:	-9.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (1S,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)[C@H]2C[C@@H]2C

DOS

IR

Vibrations