Geometry & MOs

Info

ID:	330750
PubChem CID:	127248157
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-6.68
Dipole, Da:	3.39
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-1,4-diazepane-1-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=C2)CC3(CCN(C3)C(=O)C4=NON=C4C)C(=O)NC

DOS

IR

Vibrations