Geometry & MOs

Info

ID:	355970
PubChem CID:	127290960
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-129.42
Dipole, Da:	2.71
IP(EA), eV:	-8.52(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)NC2CCCOC2)C

DOS

IR

Vibrations