Geometry & MOs

Info

ID:	421373
PubChem CID:	135115886
Reduced:	N5O5C25H37 (1)
Stoich.:	A5B5C25D37 (1)
Weight, g/mol:	410.243024
ΔH_f, kcal/mol:	-219.25
Dipole, Da:	8.65
IP(EA), eV:	-9.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C)CC2=CC=CC=C2)C)C(C)C

DOS

IR

Vibrations