Geometry & MOs

Info

ID:	418014
PubChem CID:	135103316
Reduced:	O5N7C35H43 (1)
Stoich.:	A5B7C35D43 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-145.56
Dipole, Da:	4.05
IP(EA), eV:	-9.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-phenylpentanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations